SCHEMBL17124608

SCHEMBL17124608

Cc1ncnn2c([C@]3(C#N)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@@]3(C)C#N)ccc12

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.38
▸ P2RY2 P41231 10/20 0.37
▸ P2RY4 P51582 1/20 0.37
▸ P2RX3 P56373 2/20 0.36
▸ P2RX1 P51575 1/20 0.36
▸ P2RX4 Q99571 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10148691 0.92 POLRMT (0.38) POLRMTP2RY2P2RY4P2RX3P2RX1
SCHEMBL12393421 0.92 P2RY2 (0.39) POLRMTP2RY2P2RY4P2RX3P2RX1
SCHEMBL17129823 0.91 POLRMT (0.47) POLRMTP2RX3P2RX1P2RX4
SCHEMBL17129838 0.91 POLRMT (0.47) POLRMTP2RX3P2RX1P2RX4
SCHEMBL10142499 0.83 POLRMT (0.47) POLRMTP2RY2P2RY4P2RX3P2RX1
Gs-441326 SCHEMBL10149536 0.83 POLRMT (0.47) POLRMTP2RX3P2RX1P2RX4
SCHEMBL12393465 0.83 TMPRSS2 (0.35) —
SCHEMBL10148632 0.83 TMPRSS2 (0.34) —
SCHEMBL17129815 0.83 P2RX1 (0.43) POLRMTP2RY2P2RX3P2RX1P2RX4
SCHEMBL17129820 0.83 P2RX1 (0.43) POLRMTP2RY2P2RX3P2RX1P2RX4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242988-B2 2′-cyano substituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-01-26 — — US disclosed
US-20150274739-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150274739-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES NSUN2, RNGTT, NT5C3B POLRMT 46/4885P2RY2 1501/4885P2RY4 1704/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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